tert-butyl 7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[(1-pyridin-4-yl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C25H33N3O3/c1-25(2,3)31-24(29)28-15-10-20-4-5-23(16-21(20)17-28)30-18-19-8-13-27(14-9-19)22-6-11-26-12-7-22/h4-7,11-12,16,19H,8-10,13-15,17-18H2,1-3H3